SCHEMBL9518271

SCHEMBL9518271

c1nc(Cc2ccc3c(c2)COCO3)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.39
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
P2RX3 P56373 2/20 0.32
LTB4R Q15722 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MPO P05164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3745991 0.82 TAAR1 (0.47) L3MBTL1LTB4RCYP2D6SLC6A2SLC6A4
SCHEMBL9518299 0.76 PDE10A (0.32) SLC5A2
SCHEMBL9518287 0.72 RXFP1 (0.34)
Hydrochloric Acid SCHEMBL10539073 0.71 RXFP1 (0.33)
SCHEMBL10843817 0.70 SLC5A2 (0.43) SLC5A2KCNH2HRH3P2RX3CYP2D6
SCHEMBL31023943 0.70 SLC5A2 (0.46) SLC5A2KCNH2HRH3CYP2D6SLC6A4
SCHEMBL10845738 0.70 SLC5A2 (0.46) SLC5A2KCNH2HRH3CYP2D6SLC6A4
SCHEMBL12188952 0.70 PARP1 (0.44) SLC5A2KCNH2HRH3P2RX3CYP2D6
SCHEMBL9518879 0.70 RXFP1 (0.35) CYP2D6
SCHEMBL18648047 0.70 TAAR1 (0.47) SLC5A2CYP2D6SLC6A2SLC6A4SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269599-B1 Substituted 1H-imidazoles UCB SA (BE) 1993-12-15 EP disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 US disclosed
EP-0269599-A2 Substituted 1H-imidazoles U C B, S.A. (BE) 1988-06-01 EP disclosed